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Computational assessment on the Tolman cone angles for P-ligands

Dalton transactions : an international journal of inorganic chemistry, 2019-10, Vol.48 (4), p.1536-1548

2019

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Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (43), p.29344-29353

Jover, Jesús

2017

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Zn(II) Byproduct Enhances the Cu-Catalyzed Cross-Coupling of Bromozinc Difluorophosphonate with Iodobenzoates: A DFT Study

Organometallics, 2018-02, Vol.37 (3), p.327-336

Jover, Jesús

2018

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Mechanistic Investigation of Iridium-Catalyzed C–H Borylation of Methyl Benzoate: Ligand Effects in Regioselectivity and Activity

Organometallics, 2016-09, Vol.35 (18), p.3221-3226

2016

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Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal Co II single ion magnets

Chemical communications (Cambridge, England), 2017-05, Vol.53 (38), p.5338-5341

2017

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Computational Exploration of NO Single-Site Disproportionation on Fe-MOF‑5

Chemistry of materials, 2019-11, Vol.31 (21), p.8875-8885

2019

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Quantitative Estimation of Ising-Type Magnetic Anisotropy in a Family of C 3 -Symmetric Co II Complexes

Chemistry : a European journal, 2017-09, Vol.23 (51), p.12550-12558

2017

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A Multifunctional Dysprosium‐Carboxylato 2D Metall–Organic Framework

Angewandte Chemie International Edition, 2021-05, Vol.60 (21), p.12001-12006

International ed. in English, 2021

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Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (3), p.859-867

2018

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Coordination of E–C Bonds (E = Zn, Mg, Al) and the Zn–H Bonds of (C5Me5)ZnH and (C5Me5)ZnZnH across a Quadruply Bonded Dimolybdenum Dihydride Complex

Organometallics, 2022-11, Vol.41 (22), p.3225-3236

2022

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Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex

Dalton transactions : an international journal of inorganic chemistry, 2019, Vol.48 (1), p.25-29

2019

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Dinitrogen Binding at a Trititanium Chloride Complex and Its Conversion to Ammonia under Ambient Conditions

Angewandte Chemie International Edition, 2022-08, Vol.61 (34), p.e202204544-n/a

International ed. in English, 2022

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Single-molecule magnetism arising from cobalt( ii ) nodes of a crystalline sponge

Journal of materials chemistry. C, Materials for optical and electronic devices, 2017, Vol.5 (4), p.835-841

2017

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Monocyclopentadienyltitanium(III) Complexes with Hydridoborato Ligands

Organometallics, 2023-06, Vol.42 (12), p.1360-1372

2023

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Kineticomechanistic Study of the Redox pH Cycling Processes Occurring on a Robust Water-Soluble Cyanido-Bridged Mixed-Valence {CoIII/FeII}2 Square

Inorganic chemistry, 2018-07, Vol.57 (14), p.8465-8475

2018

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Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)

Organometallics, 2010-12, Vol.29 (23), p.6245-6258

2010

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Molecular Approach to Alkali-Metal Encapsulation by a Prussian Blue Analogue FeII/CoIII Cube in Aqueous Solution: A Kineticomechanistic Exchange Study

Inorganic chemistry, 2021-12, Vol.60 (23), p.18407-18422

2021

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Tunable Magnetization Dynamics through Solid-State Ligand Substitution Reaction

Inorganic chemistry, 2017-08, Vol.56 (15), p.8829-8836

2017

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Visible and near-infrared organic photosensitizers comprising isoindigo derivatives as chromophores: synthesis, optoelectronic properties and factors limiting their efficiency in dye solar cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (21), p.10074-10084

2018

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On-surface magnetocaloric effect for a van der Waals Gd() 2D MOF grown on Si

Journal of materials chemistry. A, Materials for energy and sustainability, 2024-03, Vol.12 (11), p.6269-6279

2024

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Ammonia‐Borane Derived BN Fragments Trapped on Bi‐ and Trimetallic Titanium(III) Systems

Chemistry : a European journal, 2019-05, Vol.25 (29), p.7096-7100

2019

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Low‐Valent Titanium Species Stabilized with Aluminum/Boron Hydride Fragments

Chemistry : a European journal, 2022-01, Vol.28 (4), p.e202103085-n/a

2022

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Bifunctional Tripeptide with a Phosphonic Acid as a Brønsted Acid for Michael Addition: Mechanistic Insights

Chemistry : a European journal, 2017-05, Vol.23 (27), p.6654-6662

2017

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A Pseudo‐Octahedral Cobalt(II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero‐Field Single‐Molecule Magnet with Easy Axis Anisotropy

Chemistry : a European journal, 2018-06, Vol.24 (35), p.8857-8868

2018

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Nickel-catalyzed aryl trifluoromethyl sulfide synthesis: a DFT study

Catalysis science & technology, 2019, Vol.9 (21), p.5962-597

Jover, Jesús

2019

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Computational assessment on the Tolman cone angles for P-ligands

Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study

Zn(II) Byproduct Enhances the Cu-Catalyzed Cross-Coupling of Bromozinc Difluorophosphonate with Iodobenzoates: A DFT Study

Mechanistic Investigation of Iridium-Catalyzed C–H Borylation of Methyl Benzoate: Ligand Effects in Regioselectivity and Activity

Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal Co II single ion magnets

Computational Exploration of NO Single-Site Disproportionation on Fe-MOF‑5

Quantitative Estimation of Ising-Type Magnetic Anisotropy in a Family of C 3 -Symmetric Co II Complexes

A Multifunctional Dysprosium‐Carboxylato 2D Metall–Organic Framework

Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex

Coordination of E–C Bonds (E = Zn, Mg, Al) and the Zn–H Bonds of (C5Me5)ZnH and (C5Me5)ZnZnH across a Quadruply Bonded Dimolybdenum Dihydride Complex

Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex

Dinitrogen Binding at a Trititanium Chloride Complex and Its Conversion to Ammonia under Ambient Conditions

Single-molecule magnetism arising from cobalt( ii ) nodes of a crystalline sponge

Monocyclopentadienyltitanium(III) Complexes with Hydridoborato Ligands

Kineticomechanistic Study of the Redox pH Cycling Processes Occurring on a Robust Water-Soluble Cyanido-Bridged Mixed-Valence {CoIII/FeII}2 Square

Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)

Molecular Approach to Alkali-Metal Encapsulation by a Prussian Blue Analogue FeII/CoIII Cube in Aqueous Solution: A Kineticomechanistic Exchange Study

Tunable Magnetization Dynamics through Solid-State Ligand Substitution Reaction

Visible and near-infrared organic photosensitizers comprising isoindigo derivatives as chromophores: synthesis, optoelectronic properties and factors limiting their efficiency in dye solar cells

On-surface magnetocaloric effect for a van der Waals Gd() 2D MOF grown on Si

Ammonia‐Borane Derived BN Fragments Trapped on Bi‐ and Trimetallic Titanium(III) Systems

Low‐Valent Titanium Species Stabilized with Aluminum/Boron Hydride Fragments

Bifunctional Tripeptide with a Phosphonic Acid as a Brønsted Acid for Michael Addition: Mechanistic Insights

A Pseudo‐Octahedral Cobalt(II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero‐Field Single‐Molecule Magnet with Easy Axis Anisotropy

Nickel-catalyzed aryl trifluoromethyl sulfide synthesis: a DFT study

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